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Chemical ID: 6847056

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4ccc(cc4)OC)C

Chemical ID:

6847056

Name [?]:

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide

SMILES [?]:

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4ccc(cc4)OC)C

InChi [?]:

InChI=1/C27H25NO6/c1-16-13-17(2)25-22(14-16)24(30)27(26(34-25)18-5-9-20(31-3)10-6-18)33-15-23(29)28-19-7-11-21(32-4)12-8-19/h5-14H,15H2,1-4H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,34,20,33,14,18,27,31,15,17,28,30,3,7,22,2,4,13,26,16,29,6,23,8,5,11,10,25,24,9,19,32,21,12/E:(5,6)(7,8)(9,10)(11,12)/rA:34nCCCCCCCCOCCOCCCCCCOCOCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅NO₆
All Atoms:	59
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3675
Area:	700.432
Solvation:	-7.14326
Coulombic:	-60.8912

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	459.491
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.1
LogP (Chemaxon):	4.88

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value